| Stem definition | Drug id | CAS RN |
|---|---|---|
| 586 | 302-17-0 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | O |
| 1 | g | R |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 8300 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 86.37 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1840 | YEAR INTRODUCED |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Hypomania | 570.42 | 150.63 | 109 | 2096 | 6221 | 63480596 |
| Jaundice cholestatic | 548.45 | 150.63 | 108 | 2097 | 7216 | 63479601 |
| Schizophrenia | 527.03 | 150.63 | 110 | 2095 | 9842 | 63476975 |
| Psychotic disorder | 408.59 | 150.63 | 107 | 2098 | 25605 | 63461212 |
| Hepatotoxicity | 378.86 | 150.63 | 109 | 2096 | 36932 | 63449885 |
| Blood bilirubin increased | 378.58 | 150.63 | 109 | 2096 | 37031 | 63449786 |
| Cholelithiasis | 364.84 | 150.63 | 110 | 2095 | 43815 | 63443002 |
| Hepatic enzyme increased | 202.06 | 150.63 | 110 | 2095 | 202218 | 63284599 |
| Asthma-chronic obstructive pulmonary disease overlap syndrome | 194.55 | 150.63 | 37 | 2168 | 2024 | 63484793 |
| Total lung capacity increased | 190.34 | 150.63 | 37 | 2168 | 2273 | 63484544 |
| Nasal polyps | 154.91 | 150.63 | 37 | 2168 | 6002 | 63480815 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Sedation complication | 80.02 | 54.10 | 15 | 517 | 1762 | 34954637 |
| Respiratory failure | 65.37 | 54.10 | 32 | 500 | 108540 | 34847859 |
| Hypoventilation | 64.59 | 54.10 | 14 | 518 | 3400 | 34952999 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Hypomania | 546.29 | 73.29 | 108 | 2622 | 7436 | 79734222 |
| Jaundice cholestatic | 502.93 | 73.29 | 108 | 2622 | 11176 | 79730482 |
| Schizophrenia | 479.94 | 73.29 | 110 | 2620 | 15330 | 79726328 |
| Psychotic disorder | 367.90 | 73.29 | 109 | 2621 | 41293 | 79700365 |
| Cholelithiasis | 346.20 | 73.29 | 110 | 2620 | 52554 | 79689104 |
| Hepatotoxicity | 344.76 | 73.29 | 109 | 2621 | 51243 | 79690415 |
| Blood bilirubin increased | 313.60 | 73.29 | 108 | 2622 | 66124 | 79675534 |
| Hepatic enzyme increased | 216.61 | 73.29 | 111 | 2619 | 182499 | 79559159 |
| Total lung capacity increased | 191.01 | 73.29 | 37 | 2693 | 2261 | 79739397 |
| Asthma-chronic obstructive pulmonary disease overlap syndrome | 178.54 | 73.29 | 37 | 2693 | 3184 | 79738474 |
| Nasal polyps | 148.27 | 73.29 | 37 | 2693 | 7290 | 79734368 |
| Sarcoidosis | 143.54 | 73.29 | 37 | 2693 | 8298 | 79733360 |
| Rhinitis allergic | 133.87 | 73.29 | 38 | 2692 | 12231 | 79729427 |
| Condition aggravated | 124.69 | 73.29 | 116 | 2614 | 501008 | 79240650 |
| Cardiac murmur | 120.07 | 73.29 | 37 | 2693 | 15787 | 79725871 |
| Bronchiectasis | 107.46 | 73.29 | 37 | 2693 | 22349 | 79719309 |
| Vomiting | 98.83 | 73.29 | 117 | 2613 | 665711 | 79075947 |
| Pneumonia | 92.98 | 73.29 | 113 | 2617 | 660133 | 79081525 |
| Lung neoplasm malignant | 78.11 | 73.29 | 31 | 2699 | 27761 | 79713897 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N05CC01 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Aldehydes and derivatives |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| CHEBI has role | CHEBI:35703 | Xenobiotic |
| CHEBI has role | CHEBI:35717 | hypnotics |
| CHEBI has role | CHEBI:38869 | general anaesthetic |
| CHEBI has role | CHEBI:75771 | Mus musculus metabolites |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| General anesthesia | indication | 50697003 | |
| Insomnia | indication | 193462001 | |
| Sedation | off-label use | 72641008 | |
| Proctitis | contraindication | 3951002 | DOID:3127 |
| Gastritis | contraindication | 4556007 | DOID:4029 |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Esophagitis | contraindication | 16761005 | DOID:11963 |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Substance abuse | contraindication | 66214007 | |
| Acute disease of cardiovascular system | contraindication | 128487001 | |
| Acute intermittent porphyria | contraindication | 234422006 | DOID:3890 |
| Species | Use | Relation |
|---|---|---|
| Cattle | General anesthesia | Indication |
| Cattle | Sedation | Indication |
| Horses | General anesthesia | Indication |
| Horses | Sedation | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| Chloropent | Zoetis Inc. | 3 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.9 | acidic |
| pKa2 | 13.19 | acidic |
None
None
None
| ID | Source |
|---|---|
| 4017726 | VUID |
| N0000146094 | NUI |
| D00265 | KEGG_DRUG |
| 2344 | RXNORM |
| C0008161 | UMLSCUI |
| CHEBI:28142 | CHEBI |
| CHEMBL455917 | ChEMBL_ID |
| DB01563 | DRUGBANK_ID |
| D002697 | MESH_DESCRIPTOR_UI |
| 2707 | PUBCHEM_CID |
| 418M5916WG | UNII |
| 3870 | MMSL |
| 4404 | MMSL |
| d00147 | MMSL |
| 001427 | NDDF |
| 273948005 | SNOMEDCT_US |
| 28748001 | SNOMEDCT_US |
| 4017726 | VANDF |
None